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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50442508'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50442508
PNG
(CHEMBL2440432)
Show SMILES OP(O)(=O)C(Nc1ccc(Oc2ccc(Br)cc2)cc1)P(O)(O)=O
Show InChI InChI=1S/C13H14BrNO7P2/c14-9-1-5-11(6-2-9)22-12-7-3-10(4-8-12)15-13(23(16,17)18)24(19,20)21/h1-8,13,15H,(H2,16,17,18)(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.17E+3n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 24: 1941-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.001
BindingDB Entry DOI: 10.7270/Q2PV6MWT
More data for this
Ligand-Target Pair